General Information of the Compound
| Compound ID |
CP0164863
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| Compound Name |
CHEMBL4164430
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| Formula |
C26H31FN6O2
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| Molecular Weight |
478.572
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)N(C)CCN(C)C)n(C)c1=O
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| InChI |
InChI=1S/C26H31FN6O2/c1-30(2)8-9-31(3)24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)33(26(34)32(23)4)17-10-18(11-17)35-5/h6-7,12-15,17-18H,8-11H2,1-5H3/t17-,18+
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| InChIKey |
MQJREHKCWPKIQP-HDICACEKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR